Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 2/20 | 0.46 |
| ▸ | KDM1A | O60341 | 1/20 | 0.46 |
| ▸ | KIF11 | P52732 | 1/20 | 0.44 |
| ▸ | NOS3 | P29474 | 1/20 | 0.43 |
| ▸ | NOS2 | P35228 | 1/20 | 0.43 |
| ▸ | RXRA | P19793 | 1/20 | 0.41 |
| ▸ | RXRB | P28702 | 1/20 | 0.41 |
| ▸ | RXRG | P48443 | 1/20 | 0.41 |
| ▸ | ABL1 | P00519 | 1/20 | 0.41 |
| ▸ | BCR | P11274 | 1/20 | 0.41 |
| ▸ | TOP1 | P11387 | 1/20 | 0.38 |
| ▸ | RIOK2 | Q9BVS4 | 1/20 | 0.38 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.38 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.38 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.38 |
| ▸ | FAAH | O00519 | 1/20 | 0.37 |
| ▸ | CES1 | P23141 | 1/20 | 0.37 |
| ▸ | PIM1 | P11309 | 1/20 | 0.37 |
| ▸ | LTA4H | P09960 | 1/20 | 0.37 |
| ▸ | CSF1R | P07333 | 1/20 | 0.37 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL28726701 | 0.84 | HDAC1 (0.43) | HDAC1KDM1ANOS3NOS2ABL1 | |
| SCHEMBL31375568 | 0.84 | HDAC1 (0.43) | HDAC1KDM1AKIF11NOS3NOS2 | |
| SCHEMBL30767604 | 0.84 | HDAC1 (0.43) | HDAC1KDM1AKIF11NOS3NOS2 | |
| SCHEMBL4768871 | 0.84 | HDAC1 (0.49) | HDAC1KDM1AKIF11ABL1BCR | |
| SCHEMBL27764812 | 0.83 | KIF11 (0.52) | HDAC1KDM1AKIF11NOS3NOS2 | |
| SCHEMBL17412625 | 0.81 | KIF11 (0.52) | HDAC1KDM1AKIF11NOS3NOS2 | |
| SCHEMBL28726704 | 0.80 | NOS3 (0.48) | HDAC1KDM1AKIF11NOS3NOS2 | |
| SCHEMBL24168950 | 0.78 | NOS3 (0.56) | HDAC1KDM1AKIF11NOS3NOS2 | |
| SCHEMBL31375591 | 0.78 | ABL1 (0.49) | HDAC1KDM1AKIF11NOS3NOS2 | |
| SCHEMBL28726706 | 0.78 | NOS3 (0.47) | HDAC1KDM1ANOS3NOS2ABL1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4568960-A1 | BICYCLIC TETRAHYDROAZEPINE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2025-06-18 | — | — | EP | disclosed |
| WO-2024033458-A1 | BICYCLIC TETRAHYDROAZEPINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2024-02-15 | — | — | WO | disclosed |